HRID1141885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

结构：O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(O)cc1)c1cccc2c1C=CCCC2

HCID22262226

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(O)C(Cc2cccc(OC(F)(F)C(F)F)c2)NC(=O)c2cccc3c2C=CCCC3)cc1

HCID22261583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-880b4ff18bd54981a9ab660f051d8747
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][I:46].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[K+:43].[K+:44].[OH2:52].[OH:1][CH:2]([CH:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][C:12]([CH:13]([F:14])[F:15])([F:16])[F:17])[cH:8][cH:9][cH:10]1)[NH:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][cH:24][c:25]2[c:26]1[CH:27]=[CH:28][CH2:29][CH2:30][CH2:31]2)[c:32]1[cH:33][cH:34][c:35]([OH:38])[cH:36][cH:37]1>>[OH:1][CH:2]([CH:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][C:12]([CH:13]([F:14])[F:15])([F:16])[F:17])[cH:8][cH:9][cH:10]1)[NH:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][cH:24][c:25]2[c:26]1[CH:27]=[CH:28][CH2:29][CH2:30][CH2:31]2)[c:32]1[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]1